2-Methylbut-3-en-2-ylsulfonylmethylbenzene
TL;DR: 2-Methylbut-3-en-2-ylsulfonylmethylbenzene (CAS 73082-83-4) is a chemical compound with molecular formula C12H16O2S and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbut-3-en-2-ylsulfonylmethylbenzene
Also Known As: 2-methylbut-3-en-2-ylsulfonylmethylbenzene, 3-(Benzylsulfonyl)-3-methyl-1-butene, {[(1,1-dimethyl-2-propenyl)sulfonyl]methyl}benzene, J2.988.131F, [(2-methylbut-3-ene-2-sulfonyl)methyl]benzene
| Molecular Formula | C12H16O2S |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | 2.566 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.0871 |
| Heavy Atoms | 15 |
| Complexity | 429.94974 |
Chemical Identifiers
| CAS Number | 73082-83-4 |
|---|---|
| SMILES | CC(C)(C=C)S(=O)(=O)CC1=CC=CC=C1 |
Product Overview
2-Methylbut-3-en-2-ylsulfonylmethylbenzene (CAS 73082-83-4), with molecular formula C12H16O2S and molecular weight 224.09 g/mol. IUPAC: 2-methylbut-3-en-2-ylsulfonylmethylbenzene.
Chemical Property Profile of 2-Methylbut-3-en-2-ylsulfonylmethylbenzene
Property Insights of 2-Methylbut-3-en-2-ylsulfonylmethylbenzene
The XLogP value of 2.566 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylbut-3-en-2-ylsulfonylmethylbenzene. With a topological polar surface area (TPSA) of 34.14 Ų, 2-Methylbut-3-en-2-ylsulfonylmethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylbut-3-en-2-ylsulfonylmethylbenzene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Methylbut-3-en-2-ylsulfonylmethylbenzene?
The CAS number of 2-Methylbut-3-en-2-ylsulfonylmethylbenzene is 73082-83-4.
What is the molecular formula of 2-Methylbut-3-en-2-ylsulfonylmethylbenzene?
The molecular formula of 2-Methylbut-3-en-2-ylsulfonylmethylbenzene is C12H16O2S.
What is the molecular weight of 2-Methylbut-3-en-2-ylsulfonylmethylbenzene?
The molecular weight of 2-Methylbut-3-en-2-ylsulfonylmethylbenzene is 224.09 g/mol.
Where can I buy 2-Methylbut-3-en-2-ylsulfonylmethylbenzene?
You can request a quote for 2-Methylbut-3-en-2-ylsulfonylmethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylbut-3-en-2-ylsulfonylmethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylbut-3-en-2-ylsulfonylmethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.